SCHEMBL5608543

SCHEMBL5608543

COC(=O)C1OC1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5584078 0.90 PPM1B (0.41) PPM1BPTPN1PPP1CCTP53CA12
SCHEMBL10359549 0.83 CYP3A4 (0.37) PPM1BPTPN1PPP1CCTP53CA12
SCHEMBL5608583 0.81 ALDH1A1 (0.33) NPSR1CA12CA1CA2CA9
SCHEMBL5608576 0.80 GAA (0.36) NPSR1
SCHEMBL5608908 0.80 ALDH1A1 (0.43) PPM1BPTPN1PPP1CCPOLBNPSR1
SCHEMBL5608730 0.79 EPHX1 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL6454360 0.79 PPM1B (0.39) SMN1; SMN2PPM1BPTPN1PPP1CCPOLB
SCHEMBL5608930 0.78 PPM1B (0.45) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5608300 0.76 HTT (0.42) SMN1; SMN2POLBALDH1A1
SCHEMBL5195767 0.75 SUCNR1 (0.42) TP53ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP disclosed
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES SMN1; SMN2 4364/4885PPM1B 3607/4885PTPN1 4531/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.